dimethyl-[2-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl-(pyridin-4-ylmethyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: dimethyl-[2-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl-(pyridin-4-ylmethyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: dimethyl-[2-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl-(4-pyridylmethyl)amino]-2-oxo-ethyl]ammonium CAS Name: dimethyl-[2-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl-(pyridin-4-ylmethyl)amino]-2-oxoethyl]ammonium IUPAC Name: dimethyl-[2-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl-(pyridin-4-ylmethyl)amino]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl-(4-pyridylmethyl)amino]ethyl]-dimethyl-ammonium Formula: C22H40N5O+3 MolecularWeight: 390.5859

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)CN(CC3=CC=NC=C3)C(=O)C[NH+](C)C

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)CN(CC3=CC=NC=C3)C(=O)C[NH+](C)C

InChI

InChI=1S/C22H37N5O/c1-24(2)18-22(28)27(16-19-4-10-23-11-5-19)17-20-6-14-26(15-7-20)21-8-12-25(3)13-9-21/h4-5,10-11,20-21H,6-9,12-18H2,1-3H3/p+3